2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol

C26H32NOP — CID 70807553

IUPAC2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol
SMILESCCC(C)(Pc1c(C)cccc1N(C)C)c1cccc(Cc2ccccc2)c1O
InChIInChI=1S/C26H32NOP/c1-6-26(3,29-25-19(2)12-10-17-23(25)27(4)5)22-16-11-15-21(24(22)28)18-20-13-8-7-9-14-20/h7-17,28-29H,6,18H2,1-5H3
InChIKeyYHRJYLZAUSZRSY-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.99
Rot. Bonds7

About 2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol

2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol (PubChem CID 70807553) has the molecular formula C26H32NOP and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol.

Molecular Properties

Compound Name2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol
PubChem CID70807553
Molecular FormulaC26H32NOP
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol
SMILESCCC(C)(Pc1c(C)cccc1N(C)C)c1cccc(Cc2ccccc2)c1O
InChIInChI=1S/C26H32NOP/c1-6-26(3,29-25-19(2)12-10-17-23(25)27(4)5)22-16-11-15-21(24(22)28)18-20-13-8-7-9-14-20/h7-17,28-29H,6,18H2,1-5H3
InChIKeyYHRJYLZAUSZRSY-UHFFFAOYSA-N
XLogP5.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol?
The IUPAC name of 2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol (CID 70807553) is 2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol.
What is the SMILES notation for 2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol?
The canonical SMILES for 2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol is CCC(C)(Pc1c(C)cccc1N(C)C)c1cccc(Cc2ccccc2)c1O.
What is the InChIKey of 2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol?
The InChIKey is YHRJYLZAUSZRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32NOP/c1-6-26(3,29-25-19(2)12-10-17-23(25)27(4)5)22-16-11-15-21(24(22)28)18-20-13-8-7-9-14-20/h7-17,28-29H,6,18H2,1-5H3.
What are the key properties of 2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol?
2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol has a molecular weight of 405.52 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol is sourced from PubChem (CID 70807553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).